USER MOD reduce.3.24.130724 H: found=0, std=0, add=367, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 367 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 107:sc= 0.997 USER MOD Single : A 27 HIS : no HD1:sc= 0 X(o=0,f=-0.0072) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ -111:sc= -0.939 (180deg=-2.68!) USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.255 USER MOD Single : A 48 ASN : amide:sc= -11.4! C(o=-11!,f=-11!) USER MOD Single : A 49 ASN : amide:sc= -0.709 K(o=-0.71,f=-1.7!) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.108) USER MOD Single : A 56 THR OG1 : rot 180:sc= -0.178 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot -170:sc= -0.117 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= -0.323 K(o=-0.32,f=-1.6) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 21 1.843 19.989 -6.041 1.00 0.00 N ATOM 2 CA LYS A 21 0.829 18.924 -5.748 1.00 0.00 C ATOM 3 C LYS A 21 0.206 18.540 -7.076 1.00 0.00 C ATOM 4 O LYS A 21 -0.254 17.442 -7.289 1.00 0.00 O ATOM 5 CB LYS A 21 -0.260 19.450 -4.773 1.00 0.00 C ATOM 6 CG LYS A 21 -0.035 18.901 -3.339 1.00 0.00 C ATOM 7 CD LYS A 21 -0.835 17.600 -3.133 1.00 0.00 C ATOM 8 CE LYS A 21 -2.290 17.921 -2.754 1.00 0.00 C ATOM 9 NZ LYS A 21 -3.164 16.777 -3.138 1.00 0.00 N ATOM 0 HA LYS A 21 1.299 18.065 -5.269 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -0.242 20.540 -4.756 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -1.246 19.153 -5.129 1.00 0.00 H new ATOM 0 HG2 LYS A 21 1.026 18.713 -3.177 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -0.343 19.645 -2.605 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -0.813 17.004 -4.045 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -0.372 17.001 -2.349 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -2.366 18.108 -1.683 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -2.618 18.829 -3.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -4.149 16.992 -2.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -3.099 16.619 -4.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -2.855 15.920 -2.636 1.00 0.00 H new ATOM 23 N LEU A 22 0.222 19.467 -7.953 1.00 0.00 N ATOM 24 CA LEU A 22 -0.325 19.288 -9.309 1.00 0.00 C ATOM 25 C LEU A 22 0.275 18.052 -9.995 1.00 0.00 C ATOM 26 O LEU A 22 -0.409 17.095 -10.255 1.00 0.00 O ATOM 27 CB LEU A 22 0.121 20.545 -10.037 1.00 0.00 C ATOM 28 CG LEU A 22 0.067 20.385 -11.562 1.00 0.00 C ATOM 29 CD1 LEU A 22 -1.317 19.880 -11.991 1.00 0.00 C ATOM 30 CD2 LEU A 22 0.337 21.744 -12.216 1.00 0.00 C ATOM 0 H LEU A 22 0.611 20.394 -7.783 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.405 19.141 -9.304 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -0.514 21.379 -9.739 1.00 0.00 H new ATOM 0 HB3 LEU A 22 1.138 20.795 -9.736 1.00 0.00 H new ATOM 0 HG LEU A 22 0.820 19.663 -11.876 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.344 19.770 -13.075 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -1.513 18.915 -11.523 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -2.078 20.596 -11.680 1.00 0.00 H new ATOM 0 HD21 LEU A 22 0.301 21.640 -13.300 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.420 22.459 -11.895 1.00 0.00 H new ATOM 0 HD23 LEU A 22 1.323 22.101 -11.919 1.00 0.00 H new ATOM 42 N LEU A 23 1.545 18.071 -10.297 1.00 0.00 N ATOM 43 CA LEU A 23 2.165 16.900 -10.978 1.00 0.00 C ATOM 44 C LEU A 23 2.457 15.873 -9.910 1.00 0.00 C ATOM 45 O LEU A 23 2.216 14.693 -10.058 1.00 0.00 O ATOM 46 CB LEU A 23 3.458 17.343 -11.690 1.00 0.00 C ATOM 47 CG LEU A 23 3.627 16.587 -13.027 1.00 0.00 C ATOM 48 CD1 LEU A 23 2.812 17.276 -14.127 1.00 0.00 C ATOM 49 CD2 LEU A 23 5.105 16.577 -13.433 1.00 0.00 C ATOM 0 H LEU A 23 2.179 18.846 -10.102 1.00 0.00 H new ATOM 0 HA LEU A 23 1.502 16.477 -11.733 1.00 0.00 H new ATOM 0 HB2 LEU A 23 3.429 18.417 -11.874 1.00 0.00 H new ATOM 0 HB3 LEU A 23 4.317 17.153 -11.047 1.00 0.00 H new ATOM 0 HG LEU A 23 3.273 15.564 -12.898 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.938 16.736 -15.065 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.758 17.281 -13.850 1.00 0.00 H new ATOM 0 HD13 LEU A 23 3.160 18.302 -14.249 1.00 0.00 H new ATOM 0 HD21 LEU A 23 5.220 16.043 -14.376 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.457 17.602 -13.551 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.691 16.079 -12.661 1.00 0.00 H new ATOM 61 N ILE A 24 2.933 16.349 -8.808 1.00 0.00 N ATOM 62 CA ILE A 24 3.224 15.463 -7.652 1.00 0.00 C ATOM 63 C ILE A 24 1.989 14.568 -7.457 1.00 0.00 C ATOM 64 O ILE A 24 2.052 13.505 -6.870 1.00 0.00 O ATOM 65 CB ILE A 24 3.474 16.337 -6.380 1.00 0.00 C ATOM 66 CG1 ILE A 24 3.603 17.838 -6.756 1.00 0.00 C ATOM 67 CG2 ILE A 24 4.762 15.895 -5.673 1.00 0.00 C ATOM 68 CD1 ILE A 24 4.865 18.073 -7.602 1.00 0.00 C ATOM 0 H ILE A 24 3.139 17.336 -8.651 1.00 0.00 H new ATOM 0 HA ILE A 24 4.113 14.856 -7.824 1.00 0.00 H new ATOM 0 HB ILE A 24 2.621 16.203 -5.715 1.00 0.00 H new ATOM 0 HG12 ILE A 24 2.721 18.157 -7.311 1.00 0.00 H new ATOM 0 HG13 ILE A 24 3.647 18.444 -5.851 1.00 0.00 H new ATOM 0 HG21 ILE A 24 4.922 16.513 -4.789 1.00 0.00 H new ATOM 0 HG22 ILE A 24 4.673 14.851 -5.374 1.00 0.00 H new ATOM 0 HG23 ILE A 24 5.607 16.007 -6.352 1.00 0.00 H new ATOM 0 HD11 ILE A 24 4.940 19.130 -7.857 1.00 0.00 H new ATOM 0 HD12 ILE A 24 5.745 17.773 -7.033 1.00 0.00 H new ATOM 0 HD13 ILE A 24 4.805 17.483 -8.516 1.00 0.00 H new ATOM 80 N THR A 25 0.872 15.001 -7.988 1.00 0.00 N ATOM 81 CA THR A 25 -0.384 14.202 -7.896 1.00 0.00 C ATOM 82 C THR A 25 -0.496 13.317 -9.147 1.00 0.00 C ATOM 83 O THR A 25 -0.881 12.168 -9.066 1.00 0.00 O ATOM 84 CB THR A 25 -1.588 15.152 -7.813 1.00 0.00 C ATOM 85 OG1 THR A 25 -1.643 15.725 -6.514 1.00 0.00 O ATOM 86 CG2 THR A 25 -2.888 14.387 -8.079 1.00 0.00 C ATOM 0 H THR A 25 0.779 15.886 -8.487 1.00 0.00 H new ATOM 0 HA THR A 25 -0.368 13.575 -7.005 1.00 0.00 H new ATOM 0 HB THR A 25 -1.475 15.934 -8.564 1.00 0.00 H new ATOM 0 HG1 THR A 25 -1.363 16.663 -6.558 1.00 0.00 H new ATOM 0 HG21 THR A 25 -3.733 15.073 -8.017 1.00 0.00 H new ATOM 0 HG22 THR A 25 -2.852 13.944 -9.074 1.00 0.00 H new ATOM 0 HG23 THR A 25 -3.005 13.599 -7.335 1.00 0.00 H new ATOM 94 N ILE A 26 -0.150 13.835 -10.303 1.00 0.00 N ATOM 95 CA ILE A 26 -0.230 13.001 -11.545 1.00 0.00 C ATOM 96 C ILE A 26 1.003 12.130 -11.603 1.00 0.00 C ATOM 97 O ILE A 26 0.957 10.926 -11.760 1.00 0.00 O ATOM 98 CB ILE A 26 -0.220 13.920 -12.789 1.00 0.00 C ATOM 99 CG1 ILE A 26 -1.622 14.528 -13.026 1.00 0.00 C ATOM 100 CG2 ILE A 26 0.187 13.116 -14.043 1.00 0.00 C ATOM 101 CD1 ILE A 26 -1.836 15.734 -12.122 1.00 0.00 C ATOM 0 H ILE A 26 0.181 14.790 -10.439 1.00 0.00 H new ATOM 0 HA ILE A 26 -1.141 12.403 -11.531 1.00 0.00 H new ATOM 0 HB ILE A 26 0.499 14.719 -12.611 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -1.725 14.825 -14.070 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -2.389 13.778 -12.831 1.00 0.00 H new ATOM 0 HG21 ILE A 26 0.190 13.774 -14.912 1.00 0.00 H new ATOM 0 HG22 ILE A 26 1.184 12.699 -13.900 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -0.525 12.307 -14.203 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -2.827 16.151 -12.300 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -1.754 15.426 -11.080 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -1.080 16.489 -12.338 1.00 0.00 H new ATOM 113 N HIS A 27 2.097 12.778 -11.503 1.00 0.00 N ATOM 114 CA HIS A 27 3.407 12.102 -11.572 1.00 0.00 C ATOM 115 C HIS A 27 3.402 10.856 -10.674 1.00 0.00 C ATOM 116 O HIS A 27 4.131 9.913 -10.910 1.00 0.00 O ATOM 117 CB HIS A 27 4.471 13.116 -11.128 1.00 0.00 C ATOM 118 CG HIS A 27 5.730 12.936 -11.926 1.00 0.00 C ATOM 119 ND1 HIS A 27 6.908 12.455 -11.380 1.00 0.00 N ATOM 120 CD2 HIS A 27 5.995 13.179 -13.246 1.00 0.00 C ATOM 121 CE1 HIS A 27 7.826 12.425 -12.366 1.00 0.00 C ATOM 122 NE2 HIS A 27 7.320 12.856 -13.527 1.00 0.00 N ATOM 0 H HIS A 27 2.151 13.788 -11.371 1.00 0.00 H new ATOM 0 HA HIS A 27 3.625 11.764 -12.585 1.00 0.00 H new ATOM 0 HB2 HIS A 27 4.093 14.130 -11.257 1.00 0.00 H new ATOM 0 HB3 HIS A 27 4.684 12.988 -10.067 1.00 0.00 H new ATOM 0 HD2 HIS A 27 5.284 13.563 -13.962 1.00 0.00 H new ATOM 0 HE1 HIS A 27 8.846 12.094 -12.235 1.00 0.00 H new ATOM 0 HE2 HIS A 27 7.801 12.932 -14.424 1.00 0.00 H new ATOM 130 N ASP A 28 2.573 10.837 -9.661 1.00 0.00 N ATOM 131 CA ASP A 28 2.506 9.641 -8.761 1.00 0.00 C ATOM 132 C ASP A 28 1.306 8.785 -9.163 1.00 0.00 C ATOM 133 O ASP A 28 1.353 7.572 -9.116 1.00 0.00 O ATOM 134 CB ASP A 28 2.332 10.091 -7.311 1.00 0.00 C ATOM 135 CG ASP A 28 3.619 10.756 -6.822 1.00 0.00 C ATOM 136 OD1 ASP A 28 4.648 10.535 -7.439 1.00 0.00 O ATOM 137 OD2 ASP A 28 3.554 11.474 -5.838 1.00 0.00 O ATOM 0 H ASP A 28 1.939 11.597 -9.417 1.00 0.00 H new ATOM 0 HA ASP A 28 3.428 9.067 -8.853 1.00 0.00 H new ATOM 0 HB2 ASP A 28 1.498 10.789 -7.234 1.00 0.00 H new ATOM 0 HB3 ASP A 28 2.091 9.235 -6.681 1.00 0.00 H new ATOM 142 N ARG A 29 0.230 9.410 -9.563 1.00 0.00 N ATOM 143 CA ARG A 29 -0.978 8.637 -9.974 1.00 0.00 C ATOM 144 C ARG A 29 -0.560 7.503 -10.909 1.00 0.00 C ATOM 145 O ARG A 29 -1.219 6.490 -11.011 1.00 0.00 O ATOM 146 CB ARG A 29 -1.945 9.562 -10.721 1.00 0.00 C ATOM 147 CG ARG A 29 -3.304 8.855 -10.940 1.00 0.00 C ATOM 148 CD ARG A 29 -4.287 9.241 -9.827 1.00 0.00 C ATOM 149 NE ARG A 29 -4.776 10.631 -10.059 1.00 0.00 N ATOM 150 CZ ARG A 29 -5.823 11.071 -9.415 1.00 0.00 C ATOM 151 NH1 ARG A 29 -6.438 10.298 -8.562 1.00 0.00 N ATOM 152 NH2 ARG A 29 -6.253 12.285 -9.624 1.00 0.00 N ATOM 0 H ARG A 29 0.136 10.424 -9.623 1.00 0.00 H new ATOM 0 HA ARG A 29 -1.464 8.229 -9.088 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -2.093 10.480 -10.153 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -1.517 9.847 -11.682 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -3.715 9.133 -11.911 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -3.162 7.774 -10.952 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -5.127 8.546 -9.811 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -3.798 9.173 -8.855 1.00 0.00 H new ATOM 0 HE ARG A 29 -4.292 11.238 -10.721 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -6.101 9.349 -8.398 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -7.256 10.642 -8.059 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -5.771 12.889 -10.290 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -7.071 12.630 -9.122 1.00 0.00 H new ATOM 166 N LYS A 30 0.529 7.676 -11.602 1.00 0.00 N ATOM 167 CA LYS A 30 0.996 6.621 -12.544 1.00 0.00 C ATOM 168 C LYS A 30 0.929 5.248 -11.870 1.00 0.00 C ATOM 169 O LYS A 30 0.282 4.341 -12.354 1.00 0.00 O ATOM 170 CB LYS A 30 2.438 6.915 -12.961 1.00 0.00 C ATOM 171 CG LYS A 30 2.831 6.008 -14.127 1.00 0.00 C ATOM 172 CD LYS A 30 4.266 6.322 -14.555 1.00 0.00 C ATOM 173 CE LYS A 30 4.658 5.430 -15.734 1.00 0.00 C ATOM 174 NZ LYS A 30 5.884 5.976 -16.382 1.00 0.00 N ATOM 0 H LYS A 30 1.119 8.507 -11.557 1.00 0.00 H new ATOM 0 HA LYS A 30 0.352 6.617 -13.424 1.00 0.00 H new ATOM 0 HB2 LYS A 30 2.537 7.961 -13.252 1.00 0.00 H new ATOM 0 HB3 LYS A 30 3.111 6.753 -12.119 1.00 0.00 H new ATOM 0 HG2 LYS A 30 2.749 4.962 -13.832 1.00 0.00 H new ATOM 0 HG3 LYS A 30 2.149 6.158 -14.964 1.00 0.00 H new ATOM 0 HD2 LYS A 30 4.351 7.372 -14.837 1.00 0.00 H new ATOM 0 HD3 LYS A 30 4.949 6.160 -13.721 1.00 0.00 H new ATOM 0 HE2 LYS A 30 4.838 4.412 -15.390 1.00 0.00 H new ATOM 0 HE3 LYS A 30 3.842 5.383 -16.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 6.152 5.370 -17.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 5.696 6.940 -16.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 6.661 5.999 -15.691 1.00 0.00 H new ATOM 188 N GLU A 31 1.593 5.088 -10.759 1.00 0.00 N ATOM 189 CA GLU A 31 1.566 3.770 -10.062 1.00 0.00 C ATOM 190 C GLU A 31 0.123 3.414 -9.702 1.00 0.00 C ATOM 191 O GLU A 31 -0.373 2.361 -10.048 1.00 0.00 O ATOM 192 CB GLU A 31 2.403 3.849 -8.785 1.00 0.00 C ATOM 193 CG GLU A 31 3.713 4.583 -9.076 1.00 0.00 C ATOM 194 CD GLU A 31 4.697 4.351 -7.928 1.00 0.00 C ATOM 195 OE1 GLU A 31 5.289 3.286 -7.887 1.00 0.00 O ATOM 196 OE2 GLU A 31 4.840 5.244 -7.108 1.00 0.00 O ATOM 0 H GLU A 31 2.152 5.810 -10.304 1.00 0.00 H new ATOM 0 HA GLU A 31 1.978 3.004 -10.719 1.00 0.00 H new ATOM 0 HB2 GLU A 31 1.847 4.370 -8.005 1.00 0.00 H new ATOM 0 HB3 GLU A 31 2.611 2.846 -8.412 1.00 0.00 H new ATOM 0 HG2 GLU A 31 4.141 4.226 -10.013 1.00 0.00 H new ATOM 0 HG3 GLU A 31 3.525 5.650 -9.197 1.00 0.00 H new ATOM 203 N PHE A 32 -0.558 4.289 -9.011 1.00 0.00 N ATOM 204 CA PHE A 32 -1.953 4.016 -8.634 1.00 0.00 C ATOM 205 C PHE A 32 -2.759 3.766 -9.900 1.00 0.00 C ATOM 206 O PHE A 32 -3.726 3.030 -9.915 1.00 0.00 O ATOM 207 CB PHE A 32 -2.479 5.244 -7.889 1.00 0.00 C ATOM 208 CG PHE A 32 -2.127 5.148 -6.417 1.00 0.00 C ATOM 209 CD1 PHE A 32 -2.727 4.165 -5.620 1.00 0.00 C ATOM 210 CD2 PHE A 32 -1.202 6.037 -5.854 1.00 0.00 C ATOM 211 CE1 PHE A 32 -2.402 4.072 -4.261 1.00 0.00 C ATOM 212 CE2 PHE A 32 -0.878 5.944 -4.495 1.00 0.00 C ATOM 213 CZ PHE A 32 -1.478 4.961 -3.700 1.00 0.00 C ATOM 0 H PHE A 32 -0.193 5.187 -8.694 1.00 0.00 H new ATOM 0 HA PHE A 32 -2.033 3.138 -7.993 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -2.049 6.150 -8.316 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -3.560 5.317 -8.009 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -3.440 3.479 -6.053 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -0.739 6.795 -6.469 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -2.864 3.314 -3.646 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -0.166 6.630 -4.061 1.00 0.00 H new ATOM 0 HZ PHE A 32 -1.228 4.888 -2.652 1.00 0.00 H new ATOM 223 N ALA A 33 -2.342 4.369 -10.964 1.00 0.00 N ATOM 224 CA ALA A 33 -3.039 4.184 -12.265 1.00 0.00 C ATOM 225 C ALA A 33 -2.496 2.921 -12.928 1.00 0.00 C ATOM 226 O ALA A 33 -3.137 2.318 -13.758 1.00 0.00 O ATOM 227 CB ALA A 33 -2.776 5.391 -13.166 1.00 0.00 C ATOM 0 H ALA A 33 -1.536 4.993 -10.995 1.00 0.00 H new ATOM 0 HA ALA A 33 -4.113 4.091 -12.104 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -3.288 5.253 -14.118 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -3.148 6.294 -12.682 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -1.704 5.488 -13.341 1.00 0.00 H new ATOM 233 N LYS A 34 -1.311 2.516 -12.565 1.00 0.00 N ATOM 234 CA LYS A 34 -0.722 1.287 -13.169 1.00 0.00 C ATOM 235 C LYS A 34 -1.199 0.059 -12.392 1.00 0.00 C ATOM 236 O LYS A 34 -1.837 -0.820 -12.937 1.00 0.00 O ATOM 237 CB LYS A 34 0.805 1.370 -13.111 1.00 0.00 C ATOM 238 CG LYS A 34 1.412 0.238 -13.940 1.00 0.00 C ATOM 239 CD LYS A 34 2.925 0.202 -13.723 1.00 0.00 C ATOM 240 CE LYS A 34 3.518 -1.013 -14.440 1.00 0.00 C ATOM 241 NZ LYS A 34 4.934 -1.199 -14.014 1.00 0.00 N ATOM 0 H LYS A 34 -0.723 2.984 -11.875 1.00 0.00 H new ATOM 0 HA LYS A 34 -1.040 1.204 -14.208 1.00 0.00 H new ATOM 0 HB2 LYS A 34 1.142 2.334 -13.492 1.00 0.00 H new ATOM 0 HB3 LYS A 34 1.144 1.300 -12.077 1.00 0.00 H new ATOM 0 HG2 LYS A 34 0.970 -0.716 -13.652 1.00 0.00 H new ATOM 0 HG3 LYS A 34 1.189 0.387 -14.997 1.00 0.00 H new ATOM 0 HD2 LYS A 34 3.379 1.118 -14.102 1.00 0.00 H new ATOM 0 HD3 LYS A 34 3.149 0.153 -12.657 1.00 0.00 H new ATOM 0 HE2 LYS A 34 2.937 -1.905 -14.207 1.00 0.00 H new ATOM 0 HE3 LYS A 34 3.467 -0.872 -15.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 5.337 -2.025 -14.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 5.484 -0.351 -14.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 4.970 -1.352 -12.986 1.00 0.00 H new ATOM 255 N PHE A 35 -0.895 -0.014 -11.123 1.00 0.00 N ATOM 256 CA PHE A 35 -1.337 -1.194 -10.326 1.00 0.00 C ATOM 257 C PHE A 35 -2.846 -1.361 -10.465 1.00 0.00 C ATOM 258 O PHE A 35 -3.414 -2.368 -10.092 1.00 0.00 O ATOM 259 CB PHE A 35 -0.969 -0.991 -8.855 1.00 0.00 C ATOM 260 CG PHE A 35 -1.107 -2.301 -8.111 1.00 0.00 C ATOM 261 CD1 PHE A 35 -0.131 -3.295 -8.257 1.00 0.00 C ATOM 262 CD2 PHE A 35 -2.208 -2.519 -7.274 1.00 0.00 C ATOM 263 CE1 PHE A 35 -0.256 -4.506 -7.566 1.00 0.00 C ATOM 264 CE2 PHE A 35 -2.333 -3.731 -6.585 1.00 0.00 C ATOM 265 CZ PHE A 35 -1.357 -4.724 -6.730 1.00 0.00 C ATOM 0 H PHE A 35 -0.363 0.687 -10.607 1.00 0.00 H new ATOM 0 HA PHE A 35 -0.839 -2.090 -10.695 1.00 0.00 H new ATOM 0 HB2 PHE A 35 0.053 -0.621 -8.773 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -1.618 -0.238 -8.408 1.00 0.00 H new ATOM 0 HD1 PHE A 35 0.718 -3.127 -8.903 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -2.960 -1.753 -7.160 1.00 0.00 H new ATOM 0 HE1 PHE A 35 0.497 -5.272 -7.678 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -3.183 -3.900 -5.941 1.00 0.00 H new ATOM 0 HZ PHE A 35 -1.454 -5.658 -6.197 1.00 0.00 H new ATOM 275 N GLU A 36 -3.490 -0.376 -11.006 1.00 0.00 N ATOM 276 CA GLU A 36 -4.963 -0.444 -11.191 1.00 0.00 C ATOM 277 C GLU A 36 -5.340 -1.735 -11.902 1.00 0.00 C ATOM 278 O GLU A 36 -6.408 -2.279 -11.712 1.00 0.00 O ATOM 279 CB GLU A 36 -5.402 0.786 -11.994 1.00 0.00 C ATOM 280 CG GLU A 36 -5.243 0.533 -13.486 1.00 0.00 C ATOM 281 CD GLU A 36 -5.613 1.795 -14.268 1.00 0.00 C ATOM 282 OE1 GLU A 36 -6.288 2.640 -13.705 1.00 0.00 O ATOM 283 OE2 GLU A 36 -5.214 1.895 -15.416 1.00 0.00 O ATOM 0 H GLU A 36 -3.056 0.487 -11.334 1.00 0.00 H new ATOM 0 HA GLU A 36 -5.471 -0.443 -10.227 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -6.442 1.023 -11.768 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -4.807 1.651 -11.700 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -4.215 0.245 -13.708 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -5.880 -0.296 -13.793 1.00 0.00 H new ATOM 290 N GLU A 37 -4.464 -2.204 -12.730 1.00 0.00 N ATOM 291 CA GLU A 37 -4.732 -3.462 -13.502 1.00 0.00 C ATOM 292 C GLU A 37 -5.369 -4.482 -12.564 1.00 0.00 C ATOM 293 O GLU A 37 -6.173 -5.305 -12.956 1.00 0.00 O ATOM 294 CB GLU A 37 -3.416 -4.020 -14.047 1.00 0.00 C ATOM 295 CG GLU A 37 -3.703 -5.243 -14.921 1.00 0.00 C ATOM 296 CD GLU A 37 -2.394 -5.773 -15.507 1.00 0.00 C ATOM 297 OE1 GLU A 37 -1.767 -6.594 -14.858 1.00 0.00 O ATOM 298 OE2 GLU A 37 -2.039 -5.349 -16.595 1.00 0.00 O ATOM 0 H GLU A 37 -3.558 -1.773 -12.916 1.00 0.00 H new ATOM 0 HA GLU A 37 -5.402 -3.252 -14.336 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -2.899 -3.257 -14.629 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -2.757 -4.295 -13.224 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -4.189 -6.019 -14.330 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -4.391 -4.976 -15.723 1.00 0.00 H new ATOM 305 N GLU A 38 -5.029 -4.394 -11.315 1.00 0.00 N ATOM 306 CA GLU A 38 -5.611 -5.306 -10.302 1.00 0.00 C ATOM 307 C GLU A 38 -6.939 -4.709 -9.838 1.00 0.00 C ATOM 308 O GLU A 38 -7.991 -5.297 -9.973 1.00 0.00 O ATOM 309 CB GLU A 38 -4.643 -5.374 -9.127 1.00 0.00 C ATOM 310 CG GLU A 38 -4.993 -6.560 -8.227 1.00 0.00 C ATOM 311 CD GLU A 38 -4.093 -6.543 -6.991 1.00 0.00 C ATOM 312 OE1 GLU A 38 -4.462 -5.897 -6.024 1.00 0.00 O ATOM 313 OE2 GLU A 38 -3.051 -7.176 -7.033 1.00 0.00 O ATOM 0 H GLU A 38 -4.361 -3.717 -10.947 1.00 0.00 H new ATOM 0 HA GLU A 38 -5.776 -6.304 -10.708 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -3.621 -5.474 -9.493 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -4.688 -4.447 -8.555 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -6.040 -6.508 -7.929 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -4.863 -7.495 -8.772 1.00 0.00 H new ATOM 320 N ARG A 39 -6.876 -3.517 -9.315 1.00 0.00 N ATOM 321 CA ARG A 39 -8.099 -2.814 -8.847 1.00 0.00 C ATOM 322 C ARG A 39 -8.910 -2.351 -10.027 1.00 0.00 C ATOM 323 O ARG A 39 -9.739 -1.482 -9.898 1.00 0.00 O ATOM 324 CB ARG A 39 -7.778 -1.656 -7.891 1.00 0.00 C ATOM 325 CG ARG A 39 -6.529 -1.979 -7.051 1.00 0.00 C ATOM 326 CD ARG A 39 -6.639 -3.374 -6.367 1.00 0.00 C ATOM 327 NE ARG A 39 -6.822 -3.234 -4.884 1.00 0.00 N ATOM 328 CZ ARG A 39 -5.973 -2.564 -4.152 1.00 0.00 C ATOM 329 NH1 ARG A 39 -4.897 -2.057 -4.689 1.00 0.00 N ATOM 330 NH2 ARG A 39 -6.192 -2.417 -2.874 1.00 0.00 N ATOM 0 H ARG A 39 -6.011 -2.992 -9.191 1.00 0.00 H new ATOM 0 HA ARG A 39 -8.694 -3.524 -8.272 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -7.613 -0.742 -8.461 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -8.628 -1.473 -7.234 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -5.645 -1.955 -7.689 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -6.394 -1.210 -6.290 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -7.479 -3.925 -6.790 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -5.740 -3.956 -6.573 1.00 0.00 H new ATOM 0 HE ARG A 39 -7.628 -3.672 -4.438 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -4.716 -2.183 -5.685 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -4.237 -1.535 -4.113 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -7.025 -2.825 -2.449 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -5.530 -1.894 -2.300 1.00 0.00 H new ATOM 344 N ALA A 40 -8.675 -2.922 -11.180 1.00 0.00 N ATOM 345 CA ALA A 40 -9.473 -2.539 -12.406 1.00 0.00 C ATOM 346 C ALA A 40 -10.969 -2.489 -12.076 1.00 0.00 C ATOM 347 O ALA A 40 -11.806 -2.220 -12.911 1.00 0.00 O ATOM 348 CB ALA A 40 -9.222 -3.549 -13.527 1.00 0.00 C ATOM 0 H ALA A 40 -7.966 -3.639 -11.336 1.00 0.00 H new ATOM 0 HA ALA A 40 -9.154 -1.550 -12.735 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -9.800 -3.267 -14.407 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -8.161 -3.559 -13.777 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -9.526 -4.542 -13.197 1.00 0.00 H new ATOM 354 N ARG A 41 -11.285 -2.705 -10.851 1.00 0.00 N ATOM 355 CA ARG A 41 -12.654 -2.633 -10.369 1.00 0.00 C ATOM 356 C ARG A 41 -12.892 -1.221 -9.837 1.00 0.00 C ATOM 357 O ARG A 41 -14.000 -0.824 -9.597 1.00 0.00 O ATOM 358 CB ARG A 41 -12.748 -3.603 -9.229 1.00 0.00 C ATOM 359 CG ARG A 41 -12.450 -5.052 -9.722 1.00 0.00 C ATOM 360 CD ARG A 41 -11.201 -5.618 -9.036 1.00 0.00 C ATOM 361 NE ARG A 41 -10.881 -6.946 -9.636 1.00 0.00 N ATOM 362 CZ ARG A 41 -9.746 -7.531 -9.371 1.00 0.00 C ATOM 363 NH1 ARG A 41 -8.908 -6.984 -8.535 1.00 0.00 N ATOM 364 NH2 ARG A 41 -9.455 -8.675 -9.930 1.00 0.00 N ATOM 0 H ARG A 41 -10.605 -2.942 -10.129 1.00 0.00 H new ATOM 0 HA ARG A 41 -13.380 -2.862 -11.149 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -12.041 -3.325 -8.448 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -13.744 -3.560 -8.788 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -13.306 -5.694 -9.515 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -12.307 -5.050 -10.803 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -10.360 -4.935 -9.161 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -11.373 -5.720 -7.964 1.00 0.00 H new ATOM 0 HE ARG A 41 -11.553 -7.398 -10.256 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -9.140 -6.097 -8.087 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -8.021 -7.443 -8.329 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -10.115 -9.111 -10.574 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -8.567 -9.133 -9.723 1.00 0.00 H new ATOM 378 N ALA A 42 -11.841 -0.466 -9.631 1.00 0.00 N ATOM 379 CA ALA A 42 -12.012 0.913 -9.068 1.00 0.00 C ATOM 380 C ALA A 42 -12.958 1.711 -9.930 1.00 0.00 C ATOM 381 O ALA A 42 -13.822 2.431 -9.469 1.00 0.00 O ATOM 382 CB ALA A 42 -10.654 1.616 -9.000 1.00 0.00 C ATOM 0 H ALA A 42 -10.878 -0.741 -9.826 1.00 0.00 H new ATOM 0 HA ALA A 42 -12.428 0.837 -8.063 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -10.783 2.618 -8.590 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -9.981 1.046 -8.360 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -10.230 1.686 -10.002 1.00 0.00 H new ATOM 388 N LYS A 43 -12.775 1.570 -11.170 1.00 0.00 N ATOM 389 CA LYS A 43 -13.603 2.271 -12.171 1.00 0.00 C ATOM 390 C LYS A 43 -15.069 1.905 -12.055 1.00 0.00 C ATOM 391 O LYS A 43 -15.926 2.648 -12.493 1.00 0.00 O ATOM 392 CB LYS A 43 -13.102 1.906 -13.562 1.00 0.00 C ATOM 393 CG LYS A 43 -12.577 0.438 -13.613 1.00 0.00 C ATOM 394 CD LYS A 43 -11.111 0.407 -14.124 1.00 0.00 C ATOM 395 CE LYS A 43 -10.179 1.250 -13.225 1.00 0.00 C ATOM 396 NZ LYS A 43 -9.924 2.566 -13.874 1.00 0.00 N ATOM 0 H LYS A 43 -12.053 0.971 -11.571 1.00 0.00 H new ATOM 0 HA LYS A 43 -13.516 3.343 -11.993 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -13.908 2.031 -14.285 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -12.304 2.589 -13.854 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -12.633 -0.010 -12.621 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -13.211 -0.159 -14.269 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -10.756 -0.623 -14.152 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -11.073 0.785 -15.145 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -10.635 1.397 -12.246 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -9.238 0.724 -13.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -8.932 2.615 -14.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -10.548 2.673 -14.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -10.114 3.331 -13.195 1.00 0.00 H new ATOM 410 N TRP A 44 -15.382 0.794 -11.478 1.00 0.00 N ATOM 411 CA TRP A 44 -16.834 0.432 -11.355 1.00 0.00 C ATOM 412 C TRP A 44 -17.075 -0.399 -10.104 1.00 0.00 C ATOM 413 O TRP A 44 -18.047 -1.121 -9.995 1.00 0.00 O ATOM 414 CB TRP A 44 -17.322 -0.332 -12.588 1.00 0.00 C ATOM 415 CG TRP A 44 -16.275 -1.262 -12.994 1.00 0.00 C ATOM 416 CD1 TRP A 44 -15.382 -0.968 -13.909 1.00 0.00 C ATOM 417 CD2 TRP A 44 -15.985 -2.607 -12.529 1.00 0.00 C ATOM 418 NE1 TRP A 44 -14.500 -2.012 -14.028 1.00 0.00 N ATOM 419 CE2 TRP A 44 -14.832 -3.054 -13.198 1.00 0.00 C ATOM 420 CE3 TRP A 44 -16.586 -3.463 -11.598 1.00 0.00 C ATOM 421 CZ2 TRP A 44 -14.277 -4.300 -12.952 1.00 0.00 C ATOM 422 CZ3 TRP A 44 -16.041 -4.735 -11.348 1.00 0.00 C ATOM 423 CH2 TRP A 44 -14.879 -5.150 -12.019 1.00 0.00 C ATOM 0 H TRP A 44 -14.721 0.122 -11.088 1.00 0.00 H new ATOM 0 HA TRP A 44 -17.399 1.361 -11.280 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -18.242 -0.871 -12.361 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -17.550 0.361 -13.398 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -15.347 -0.051 -14.478 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -13.696 -2.014 -14.656 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -17.472 -3.145 -11.069 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -13.386 -4.612 -13.477 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -16.517 -5.395 -10.638 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -14.452 -6.121 -11.815 1.00 0.00 H new ATOM 434 N ASP A 45 -16.185 -0.319 -9.174 1.00 0.00 N ATOM 435 CA ASP A 45 -16.336 -1.126 -7.926 1.00 0.00 C ATOM 436 C ASP A 45 -15.243 -0.792 -6.934 1.00 0.00 C ATOM 437 O ASP A 45 -15.487 -0.276 -5.865 1.00 0.00 O ATOM 438 CB ASP A 45 -16.228 -2.620 -8.291 1.00 0.00 C ATOM 439 CG ASP A 45 -17.613 -3.299 -8.273 1.00 0.00 C ATOM 440 OD1 ASP A 45 -18.441 -2.905 -7.468 1.00 0.00 O ATOM 441 OD2 ASP A 45 -17.813 -4.213 -9.055 1.00 0.00 O ATOM 0 H ASP A 45 -15.352 0.269 -9.213 1.00 0.00 H new ATOM 0 HA ASP A 45 -17.303 -0.901 -7.475 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -15.782 -2.724 -9.280 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -15.564 -3.122 -7.587 1.00 0.00 H new ATOM 446 N THR A 46 -14.061 -1.167 -7.278 1.00 0.00 N ATOM 447 CA THR A 46 -12.886 -0.989 -6.393 1.00 0.00 C ATOM 448 C THR A 46 -12.913 -2.137 -5.426 1.00 0.00 C ATOM 449 O THR A 46 -11.906 -2.730 -5.114 1.00 0.00 O ATOM 450 CB THR A 46 -12.911 0.397 -5.686 1.00 0.00 C ATOM 451 OG1 THR A 46 -11.635 1.001 -5.841 1.00 0.00 O ATOM 452 CG2 THR A 46 -13.222 0.292 -4.181 1.00 0.00 C ATOM 0 H THR A 46 -13.846 -1.608 -8.172 1.00 0.00 H new ATOM 0 HA THR A 46 -11.954 -0.996 -6.958 1.00 0.00 H new ATOM 0 HB THR A 46 -13.702 0.989 -6.145 1.00 0.00 H new ATOM 0 HG1 THR A 46 -11.633 1.877 -5.403 1.00 0.00 H new ATOM 0 HG21 THR A 46 -13.226 1.289 -3.740 1.00 0.00 H new ATOM 0 HG22 THR A 46 -14.199 -0.170 -4.043 1.00 0.00 H new ATOM 0 HG23 THR A 46 -12.461 -0.317 -3.694 1.00 0.00 H new ATOM 460 N ALA A 47 -14.079 -2.467 -4.982 1.00 0.00 N ATOM 461 CA ALA A 47 -14.237 -3.613 -4.042 1.00 0.00 C ATOM 462 C ALA A 47 -14.876 -4.794 -4.743 1.00 0.00 C ATOM 463 O ALA A 47 -14.481 -5.923 -4.532 1.00 0.00 O ATOM 464 CB ALA A 47 -15.094 -3.190 -2.848 1.00 0.00 C ATOM 0 H ALA A 47 -14.947 -1.991 -5.228 1.00 0.00 H new ATOM 0 HA ALA A 47 -13.250 -3.912 -3.690 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -15.206 -4.031 -2.164 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -14.611 -2.362 -2.329 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -16.076 -2.874 -3.199 1.00 0.00 H new ATOM 470 N ASN A 48 -15.866 -4.540 -5.559 1.00 0.00 N ATOM 471 CA ASN A 48 -16.583 -5.660 -6.279 1.00 0.00 C ATOM 472 C ASN A 48 -16.613 -6.897 -5.370 1.00 0.00 C ATOM 473 O ASN A 48 -17.082 -6.862 -4.250 1.00 0.00 O ATOM 474 CB ASN A 48 -15.838 -6.029 -7.579 1.00 0.00 C ATOM 475 CG ASN A 48 -14.394 -6.428 -7.253 1.00 0.00 C ATOM 476 OD1 ASN A 48 -14.049 -7.592 -7.317 1.00 0.00 O ATOM 477 ND2 ASN A 48 -13.530 -5.517 -6.906 1.00 0.00 N ATOM 0 H ASN A 48 -16.217 -3.605 -5.765 1.00 0.00 H new ATOM 0 HA ASN A 48 -17.594 -5.332 -6.522 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -16.348 -6.851 -8.081 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -15.845 -5.183 -8.266 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -12.569 -5.782 -6.690 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -13.814 -4.539 -6.851 1.00 0.00 H new ATOM 484 N ASN A 49 -16.046 -7.960 -5.844 1.00 0.00 N ATOM 485 CA ASN A 49 -15.930 -9.204 -5.058 1.00 0.00 C ATOM 486 C ASN A 49 -14.650 -9.054 -4.210 1.00 0.00 C ATOM 487 O ASN A 49 -13.757 -8.335 -4.614 1.00 0.00 O ATOM 488 CB ASN A 49 -15.772 -10.374 -6.045 1.00 0.00 C ATOM 489 CG ASN A 49 -16.859 -11.424 -5.841 1.00 0.00 C ATOM 490 OD1 ASN A 49 -16.668 -12.418 -5.169 1.00 0.00 O ATOM 491 ND2 ASN A 49 -17.991 -11.235 -6.423 1.00 0.00 N ATOM 0 H ASN A 49 -15.644 -8.018 -6.780 1.00 0.00 H new ATOM 0 HA ASN A 49 -16.797 -9.387 -4.424 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -15.814 -9.998 -7.067 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -14.792 -10.833 -5.914 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -18.737 -11.923 -6.322 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -18.142 -10.397 -6.985 1.00 0.00 H new ATOM 498 N PRO A 50 -14.568 -9.706 -3.075 1.00 0.00 N ATOM 499 CA PRO A 50 -13.368 -9.593 -2.233 1.00 0.00 C ATOM 500 C PRO A 50 -12.104 -9.772 -3.071 1.00 0.00 C ATOM 501 O PRO A 50 -11.019 -9.466 -2.643 1.00 0.00 O ATOM 502 CB PRO A 50 -13.537 -10.668 -1.142 1.00 0.00 C ATOM 503 CG PRO A 50 -14.969 -11.264 -1.307 1.00 0.00 C ATOM 504 CD PRO A 50 -15.617 -10.596 -2.546 1.00 0.00 C ATOM 0 HA PRO A 50 -13.260 -8.609 -1.777 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -12.781 -11.446 -1.247 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -13.412 -10.234 -0.150 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -14.921 -12.345 -1.437 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -15.567 -11.076 -0.415 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -15.918 -11.338 -3.285 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -16.512 -10.037 -2.273 1.00 0.00 H new ATOM 512 N LEU A 51 -12.273 -10.198 -4.276 1.00 0.00 N ATOM 513 CA LEU A 51 -11.147 -10.342 -5.241 1.00 0.00 C ATOM 514 C LEU A 51 -10.152 -9.215 -5.059 1.00 0.00 C ATOM 515 O LEU A 51 -8.958 -9.372 -4.955 1.00 0.00 O ATOM 516 CB LEU A 51 -11.801 -10.132 -6.589 1.00 0.00 C ATOM 517 CG LEU A 51 -10.967 -10.709 -7.755 1.00 0.00 C ATOM 518 CD1 LEU A 51 -9.482 -10.357 -7.609 1.00 0.00 C ATOM 519 CD2 LEU A 51 -11.117 -12.236 -7.814 1.00 0.00 C ATOM 0 H LEU A 51 -13.181 -10.466 -4.656 1.00 0.00 H new ATOM 0 HA LEU A 51 -10.631 -11.294 -5.121 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -12.786 -10.599 -6.587 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -11.955 -9.065 -6.751 1.00 0.00 H new ATOM 0 HG LEU A 51 -11.343 -10.264 -8.676 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -8.924 -10.778 -8.445 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -9.364 -9.273 -7.603 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -9.101 -10.769 -6.675 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -10.524 -12.628 -8.640 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -10.768 -12.672 -6.878 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -12.165 -12.493 -7.966 1.00 0.00 H new ATOM 531 N TYR A 52 -10.719 -8.079 -5.060 1.00 0.00 N ATOM 532 CA TYR A 52 -10.000 -6.812 -4.932 1.00 0.00 C ATOM 533 C TYR A 52 -9.171 -6.913 -3.664 1.00 0.00 C ATOM 534 O TYR A 52 -8.023 -6.521 -3.604 1.00 0.00 O ATOM 535 CB TYR A 52 -11.082 -5.711 -4.858 1.00 0.00 C ATOM 536 CG TYR A 52 -10.869 -4.851 -3.621 1.00 0.00 C ATOM 537 CD1 TYR A 52 -10.038 -3.725 -3.678 1.00 0.00 C ATOM 538 CD2 TYR A 52 -11.484 -5.205 -2.413 1.00 0.00 C ATOM 539 CE1 TYR A 52 -9.827 -2.951 -2.532 1.00 0.00 C ATOM 540 CE2 TYR A 52 -11.275 -4.428 -1.267 1.00 0.00 C ATOM 541 CZ TYR A 52 -10.448 -3.301 -1.327 1.00 0.00 C ATOM 542 OH TYR A 52 -10.240 -2.537 -0.196 1.00 0.00 O ATOM 0 H TYR A 52 -11.728 -7.964 -5.151 1.00 0.00 H new ATOM 0 HA TYR A 52 -9.328 -6.583 -5.759 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -11.042 -5.090 -5.753 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -12.073 -6.165 -4.829 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -9.560 -3.454 -4.608 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -12.119 -6.077 -2.366 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -9.185 -2.084 -2.577 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -11.752 -4.699 -0.337 1.00 0.00 H new ATOM 0 HH TYR A 52 -10.745 -2.917 0.553 1.00 0.00 H new ATOM 552 N LYS A 53 -9.770 -7.470 -2.659 1.00 0.00 N ATOM 553 CA LYS A 53 -9.068 -7.655 -1.370 1.00 0.00 C ATOM 554 C LYS A 53 -8.291 -8.960 -1.412 1.00 0.00 C ATOM 555 O LYS A 53 -7.324 -9.146 -0.701 1.00 0.00 O ATOM 556 CB LYS A 53 -10.095 -7.698 -0.233 1.00 0.00 C ATOM 557 CG LYS A 53 -9.387 -7.599 1.130 1.00 0.00 C ATOM 558 CD LYS A 53 -9.123 -6.131 1.488 1.00 0.00 C ATOM 559 CE LYS A 53 -8.566 -6.049 2.908 1.00 0.00 C ATOM 560 NZ LYS A 53 -7.175 -6.586 2.927 1.00 0.00 N ATOM 0 H LYS A 53 -10.731 -7.810 -2.677 1.00 0.00 H new ATOM 0 HA LYS A 53 -8.380 -6.827 -1.199 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -10.804 -6.877 -0.343 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -10.668 -8.624 -0.286 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -10.002 -8.063 1.901 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -8.446 -8.148 1.099 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -8.416 -5.694 0.782 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -10.045 -5.555 1.413 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -8.573 -5.015 3.254 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -9.197 -6.618 3.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -6.735 -6.378 3.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -7.198 -7.615 2.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -6.620 -6.140 2.169 1.00 0.00 H new ATOM 574 N GLU A 54 -8.713 -9.876 -2.237 1.00 0.00 N ATOM 575 CA GLU A 54 -7.983 -11.194 -2.307 1.00 0.00 C ATOM 576 C GLU A 54 -6.839 -11.118 -3.310 1.00 0.00 C ATOM 577 O GLU A 54 -5.917 -11.909 -3.280 1.00 0.00 O ATOM 578 CB GLU A 54 -8.931 -12.329 -2.694 1.00 0.00 C ATOM 579 CG GLU A 54 -10.084 -12.408 -1.691 1.00 0.00 C ATOM 580 CD GLU A 54 -11.212 -13.264 -2.272 1.00 0.00 C ATOM 581 OE1 GLU A 54 -11.786 -12.855 -3.268 1.00 0.00 O ATOM 582 OE2 GLU A 54 -11.481 -14.313 -1.711 1.00 0.00 O ATOM 0 H GLU A 54 -9.516 -9.783 -2.860 1.00 0.00 H new ATOM 0 HA GLU A 54 -7.579 -11.402 -1.316 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -9.321 -12.162 -3.698 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -8.390 -13.275 -2.715 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -9.734 -12.838 -0.752 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -10.452 -11.407 -1.465 1.00 0.00 H new ATOM 589 N ALA A 55 -6.896 -10.179 -4.199 1.00 0.00 N ATOM 590 CA ALA A 55 -5.818 -10.046 -5.219 1.00 0.00 C ATOM 591 C ALA A 55 -4.468 -10.071 -4.513 1.00 0.00 C ATOM 592 O ALA A 55 -3.454 -10.406 -5.093 1.00 0.00 O ATOM 593 CB ALA A 55 -5.991 -8.726 -5.975 1.00 0.00 C ATOM 0 H ALA A 55 -7.645 -9.490 -4.269 1.00 0.00 H new ATOM 0 HA ALA A 55 -5.872 -10.870 -5.931 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -5.203 -8.628 -6.721 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -6.962 -8.715 -6.470 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -5.931 -7.894 -5.273 1.00 0.00 H new ATOM 599 N THR A 56 -4.455 -9.730 -3.257 1.00 0.00 N ATOM 600 CA THR A 56 -3.198 -9.741 -2.491 1.00 0.00 C ATOM 601 C THR A 56 -2.945 -11.160 -2.012 1.00 0.00 C ATOM 602 O THR A 56 -1.840 -11.665 -2.037 1.00 0.00 O ATOM 603 CB THR A 56 -3.368 -8.805 -1.299 1.00 0.00 C ATOM 604 OG1 THR A 56 -4.700 -8.903 -0.816 1.00 0.00 O ATOM 605 CG2 THR A 56 -3.085 -7.359 -1.721 1.00 0.00 C ATOM 0 H THR A 56 -5.278 -9.441 -2.728 1.00 0.00 H new ATOM 0 HA THR A 56 -2.356 -9.411 -3.099 1.00 0.00 H new ATOM 0 HB THR A 56 -2.666 -9.090 -0.515 1.00 0.00 H new ATOM 0 HG1 THR A 56 -4.815 -8.304 -0.049 1.00 0.00 H new ATOM 0 HG21 THR A 56 -3.209 -6.699 -0.863 1.00 0.00 H new ATOM 0 HG22 THR A 56 -2.064 -7.282 -2.093 1.00 0.00 H new ATOM 0 HG23 THR A 56 -3.781 -7.067 -2.507 1.00 0.00 H new ATOM 613 N SER A 57 -3.982 -11.802 -1.593 1.00 0.00 N ATOM 614 CA SER A 57 -3.861 -13.203 -1.119 1.00 0.00 C ATOM 615 C SER A 57 -3.421 -14.066 -2.296 1.00 0.00 C ATOM 616 O SER A 57 -2.857 -15.131 -2.131 1.00 0.00 O ATOM 617 CB SER A 57 -5.214 -13.691 -0.598 1.00 0.00 C ATOM 618 OG SER A 57 -5.051 -14.966 0.009 1.00 0.00 O ATOM 0 H SER A 57 -4.925 -11.415 -1.556 1.00 0.00 H new ATOM 0 HA SER A 57 -3.132 -13.266 -0.311 1.00 0.00 H new ATOM 0 HB2 SER A 57 -5.616 -12.980 0.124 1.00 0.00 H new ATOM 0 HB3 SER A 57 -5.931 -13.754 -1.417 1.00 0.00 H new ATOM 0 HG SER A 57 -5.916 -15.281 0.345 1.00 0.00 H new ATOM 624 N THR A 58 -3.668 -13.601 -3.492 1.00 0.00 N ATOM 625 CA THR A 58 -3.261 -14.367 -4.689 1.00 0.00 C ATOM 626 C THR A 58 -1.769 -14.648 -4.578 1.00 0.00 C ATOM 627 O THR A 58 -1.226 -15.513 -5.237 1.00 0.00 O ATOM 628 CB THR A 58 -3.540 -13.543 -5.948 1.00 0.00 C ATOM 629 OG1 THR A 58 -4.897 -13.123 -5.945 1.00 0.00 O ATOM 630 CG2 THR A 58 -3.270 -14.395 -7.189 1.00 0.00 C ATOM 0 H THR A 58 -4.138 -12.716 -3.685 1.00 0.00 H new ATOM 0 HA THR A 58 -3.820 -15.300 -4.753 1.00 0.00 H new ATOM 0 HB THR A 58 -2.888 -12.669 -5.963 1.00 0.00 H new ATOM 0 HG1 THR A 58 -5.121 -12.734 -6.816 1.00 0.00 H new ATOM 0 HG21 THR A 58 -3.469 -13.807 -8.085 1.00 0.00 H new ATOM 0 HG22 THR A 58 -2.228 -14.716 -7.190 1.00 0.00 H new ATOM 0 HG23 THR A 58 -3.920 -15.270 -7.178 1.00 0.00 H new ATOM 638 N PHE A 59 -1.111 -13.908 -3.734 1.00 0.00 N ATOM 639 CA PHE A 59 0.350 -14.086 -3.534 1.00 0.00 C ATOM 640 C PHE A 59 0.611 -15.422 -2.868 1.00 0.00 C ATOM 641 O PHE A 59 1.463 -16.194 -3.262 1.00 0.00 O ATOM 642 CB PHE A 59 0.827 -12.970 -2.610 1.00 0.00 C ATOM 643 CG PHE A 59 2.331 -12.849 -2.678 1.00 0.00 C ATOM 644 CD1 PHE A 59 2.927 -12.098 -3.698 1.00 0.00 C ATOM 645 CD2 PHE A 59 3.129 -13.487 -1.721 1.00 0.00 C ATOM 646 CE1 PHE A 59 4.321 -11.986 -3.760 1.00 0.00 C ATOM 647 CE2 PHE A 59 4.522 -13.375 -1.784 1.00 0.00 C ATOM 648 CZ PHE A 59 5.119 -12.624 -2.804 1.00 0.00 C ATOM 0 H PHE A 59 -1.532 -13.174 -3.164 1.00 0.00 H new ATOM 0 HA PHE A 59 0.873 -14.054 -4.490 1.00 0.00 H new ATOM 0 HB2 PHE A 59 0.365 -12.026 -2.898 1.00 0.00 H new ATOM 0 HB3 PHE A 59 0.517 -13.177 -1.586 1.00 0.00 H new ATOM 0 HD1 PHE A 59 2.312 -11.605 -4.436 1.00 0.00 H new ATOM 0 HD2 PHE A 59 2.669 -14.066 -0.934 1.00 0.00 H new ATOM 0 HE1 PHE A 59 4.781 -11.406 -4.547 1.00 0.00 H new ATOM 0 HE2 PHE A 59 5.137 -13.868 -1.046 1.00 0.00 H new ATOM 0 HZ PHE A 59 6.194 -12.537 -2.853 1.00 0.00 H new ATOM 658 N THR A 60 -0.121 -15.667 -1.846 1.00 0.00 N ATOM 659 CA THR A 60 0.029 -16.932 -1.073 1.00 0.00 C ATOM 660 C THR A 60 -0.791 -18.040 -1.742 1.00 0.00 C ATOM 661 O THR A 60 -0.526 -19.211 -1.581 1.00 0.00 O ATOM 662 CB THR A 60 -0.430 -16.660 0.379 1.00 0.00 C ATOM 663 OG1 THR A 60 0.710 -16.603 1.223 1.00 0.00 O ATOM 664 CG2 THR A 60 -1.381 -17.746 0.898 1.00 0.00 C ATOM 0 H THR A 60 -0.840 -15.036 -1.493 1.00 0.00 H new ATOM 0 HA THR A 60 1.066 -17.267 -1.054 1.00 0.00 H new ATOM 0 HB THR A 60 -0.969 -15.713 0.385 1.00 0.00 H new ATOM 0 HG1 THR A 60 0.426 -16.429 2.145 1.00 0.00 H new ATOM 0 HG21 THR A 60 -1.676 -17.512 1.921 1.00 0.00 H new ATOM 0 HG22 THR A 60 -2.267 -17.787 0.265 1.00 0.00 H new ATOM 0 HG23 THR A 60 -0.876 -18.712 0.878 1.00 0.00 H new ATOM 672 N ASN A 61 -1.780 -17.667 -2.485 1.00 0.00 N ATOM 673 CA ASN A 61 -2.632 -18.683 -3.171 1.00 0.00 C ATOM 674 C ASN A 61 -1.767 -19.542 -4.091 1.00 0.00 C ATOM 675 O ASN A 61 -2.216 -20.517 -4.658 1.00 0.00 O ATOM 676 CB ASN A 61 -3.686 -17.970 -4.010 1.00 0.00 C ATOM 677 CG ASN A 61 -4.731 -18.980 -4.488 1.00 0.00 C ATOM 678 OD1 ASN A 61 -5.281 -19.722 -3.698 1.00 0.00 O ATOM 679 ND2 ASN A 61 -5.031 -19.039 -5.756 1.00 0.00 N ATOM 0 H ASN A 61 -2.045 -16.696 -2.654 1.00 0.00 H new ATOM 0 HA ASN A 61 -3.112 -19.315 -2.424 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -4.165 -17.187 -3.422 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -3.217 -17.484 -4.866 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -5.727 -19.708 -6.085 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -4.569 -18.416 -6.419 1.00 0.00 H new ATOM 686 N ILE A 62 -0.530 -19.175 -4.245 1.00 0.00 N ATOM 687 CA ILE A 62 0.391 -19.948 -5.133 1.00 0.00 C ATOM 688 C ILE A 62 1.166 -20.934 -4.270 1.00 0.00 C ATOM 689 O ILE A 62 1.769 -21.873 -4.751 1.00 0.00 O ATOM 690 CB ILE A 62 1.363 -18.973 -5.826 1.00 0.00 C ATOM 691 CG1 ILE A 62 0.652 -17.638 -6.051 1.00 0.00 C ATOM 692 CG2 ILE A 62 1.815 -19.544 -7.174 1.00 0.00 C ATOM 693 CD1 ILE A 62 1.571 -16.692 -6.825 1.00 0.00 C ATOM 0 H ILE A 62 -0.108 -18.365 -3.791 1.00 0.00 H new ATOM 0 HA ILE A 62 -0.171 -20.487 -5.896 1.00 0.00 H new ATOM 0 HB ILE A 62 2.239 -18.828 -5.194 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -0.274 -17.796 -6.605 1.00 0.00 H new ATOM 0 HG13 ILE A 62 0.379 -17.194 -5.094 1.00 0.00 H new ATOM 0 HG21 ILE A 62 2.501 -18.846 -7.653 1.00 0.00 H new ATOM 0 HG22 ILE A 62 2.320 -20.497 -7.015 1.00 0.00 H new ATOM 0 HG23 ILE A 62 0.946 -19.696 -7.814 1.00 0.00 H new ATOM 0 HD11 ILE A 62 1.063 -15.741 -6.985 1.00 0.00 H new ATOM 0 HD12 ILE A 62 2.484 -16.524 -6.254 1.00 0.00 H new ATOM 0 HD13 ILE A 62 1.822 -17.136 -7.789 1.00 0.00 H new ATOM 705 N THR A 63 1.138 -20.706 -2.992 1.00 0.00 N ATOM 706 CA THR A 63 1.854 -21.593 -2.025 1.00 0.00 C ATOM 707 C THR A 63 0.841 -22.127 -1.013 1.00 0.00 C ATOM 708 O THR A 63 1.087 -23.086 -0.308 1.00 0.00 O ATOM 709 CB THR A 63 2.959 -20.775 -1.349 1.00 0.00 C ATOM 710 OG1 THR A 63 4.187 -21.009 -2.024 1.00 0.00 O ATOM 711 CG2 THR A 63 3.126 -21.137 0.135 1.00 0.00 C ATOM 0 H THR A 63 0.640 -19.927 -2.562 1.00 0.00 H new ATOM 0 HA THR A 63 2.315 -22.445 -2.525 1.00 0.00 H new ATOM 0 HB THR A 63 2.676 -19.724 -1.405 1.00 0.00 H new ATOM 0 HG1 THR A 63 4.899 -20.487 -1.598 1.00 0.00 H new ATOM 0 HG21 THR A 63 3.921 -20.531 0.570 1.00 0.00 H new ATOM 0 HG22 THR A 63 2.192 -20.945 0.664 1.00 0.00 H new ATOM 0 HG23 THR A 63 3.384 -22.192 0.225 1.00 0.00 H new ATOM 719 N TYR A 64 -0.296 -21.506 -0.944 1.00 0.00 N ATOM 720 CA TYR A 64 -1.339 -21.966 0.019 1.00 0.00 C ATOM 721 C TYR A 64 -1.611 -23.456 -0.190 1.00 0.00 C ATOM 722 O TYR A 64 -2.285 -24.093 0.595 1.00 0.00 O ATOM 723 CB TYR A 64 -2.637 -21.160 -0.180 1.00 0.00 C ATOM 724 CG TYR A 64 -3.453 -21.710 -1.350 1.00 0.00 C ATOM 725 CD1 TYR A 64 -2.850 -21.996 -2.594 1.00 0.00 C ATOM 726 CD2 TYR A 64 -4.828 -21.937 -1.182 1.00 0.00 C ATOM 727 CE1 TYR A 64 -3.626 -22.498 -3.647 1.00 0.00 C ATOM 728 CE2 TYR A 64 -5.595 -22.441 -2.238 1.00 0.00 C ATOM 729 CZ TYR A 64 -4.994 -22.719 -3.470 1.00 0.00 C ATOM 730 OH TYR A 64 -5.754 -23.214 -4.510 1.00 0.00 O ATOM 0 H TYR A 64 -0.554 -20.698 -1.511 1.00 0.00 H new ATOM 0 HA TYR A 64 -0.980 -21.806 1.036 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -3.234 -21.195 0.732 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -2.394 -20.113 -0.362 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -1.792 -21.828 -2.734 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -5.296 -21.722 -0.233 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -3.165 -22.715 -4.599 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -6.652 -22.616 -2.102 1.00 0.00 H new ATOM 0 HH TYR A 64 -6.685 -23.310 -4.218 1.00 0.00 H new